4DF2
P. stipitis OYE2.6 complexed with p-Chlorophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 127.736, 127.736, 123.646 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.860 - 2.021 |
| R-factor | 0.1642 |
| Rwork | 0.160 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tjl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.090 |
| High resolution limit [Å] | 1.950 | 2.020 |
| Rmerge | 0.700 | |
| Number of reflections | 38159 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 96.7 | 98.6 |
| Redundancy | 7.2 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 3M malonate, 1% iPrOH pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
